REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2yz0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSLSHLTLDQ YYEIQCNELE AIRSIYMDDF TDLTKRKSSW DKQPQIIFEI DATA SEQUENCE TLRSVDKEPV ESSITLHFAM TPMYPYTAPE IEFKNVQNVM DSQLQMLKSE DATA SEQUENCE FKKIHNTSRG QEIIFEITSF TQEKLDEFQN VVNTQSLE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.511 4.480 0.052 0.000 0.227 1 M C 0.000 176.332 176.300 0.053 0.000 1.140 1 M CA 0.000 55.340 55.300 0.066 0.000 0.988 1 M CB 0.000 32.644 32.600 0.073 0.000 1.302 2 S N 1.499 117.236 115.700 0.062 0.000 2.524 2 S HA 0.240 4.731 4.470 0.035 0.000 0.227 2 S C -1.420 173.199 174.600 0.032 0.000 1.304 2 S CA 0.623 58.852 58.200 0.047 0.000 1.185 2 S CB 0.448 63.684 63.200 0.059 0.000 1.104 2 S HN 0.058 8.420 8.310 0.087 0.000 0.475 3 L N 4.676 125.901 121.223 0.004 0.000 2.388 3 L HA 0.254 4.573 4.340 -0.035 0.000 0.267 3 L C -0.591 176.265 176.870 -0.022 0.000 0.995 3 L CA 0.675 55.496 54.840 -0.031 0.000 0.864 3 L CB 0.440 42.455 42.059 -0.072 0.000 1.216 3 L HN 0.422 8.656 8.230 0.006 0.000 0.430 4 S N 2.566 118.262 115.700 -0.007 0.000 4.476 4 S HA -0.131 4.320 4.470 -0.032 0.000 0.193 4 S C 0.591 175.192 174.600 0.001 0.000 1.131 4 S CA -0.212 57.977 58.200 -0.018 0.000 1.198 4 S CB 0.620 63.803 63.200 -0.029 0.000 1.566 4 S HN 0.264 8.583 8.310 0.015 0.000 0.507 5 H N 2.352 121.395 119.070 -0.045 0.000 2.261 5 H HA -0.249 4.284 4.556 -0.037 0.000 0.290 5 H C -0.167 175.119 175.328 -0.069 0.000 1.081 5 H CA 1.820 57.841 56.048 -0.045 0.000 1.196 5 H CB 0.305 30.047 29.762 -0.033 0.000 1.350 5 H HN -0.207 8.140 8.280 0.111 0.000 0.498 6 L N -1.856 119.414 121.223 0.078 0.000 2.262 6 L HA 0.080 4.395 4.340 -0.041 0.000 0.288 6 L C -0.291 176.482 176.870 -0.161 0.000 1.035 6 L CA -0.444 54.354 54.840 -0.070 0.000 0.820 6 L CB 0.434 42.407 42.059 -0.144 0.000 1.204 6 L HN -0.317 7.965 8.230 0.086 0.000 0.424 7 T N 2.395 116.861 114.554 -0.147 0.000 2.816 7 T HA 0.017 4.292 4.350 -0.126 0.000 0.282 7 T C 1.681 176.239 174.700 -0.237 0.000 0.993 7 T CA -1.529 60.483 62.100 -0.148 0.000 0.994 7 T CB 1.899 70.715 68.868 -0.086 0.000 1.025 7 T HN 0.159 8.335 8.240 -0.107 0.000 0.529 8 L N 1.407 122.556 121.223 -0.123 0.000 2.127 8 L HA -0.373 3.978 4.340 0.018 0.000 0.211 8 L C 1.523 178.389 176.870 -0.008 0.000 1.089 8 L CA 2.710 57.547 54.840 -0.006 0.000 0.757 8 L CB -0.311 41.809 42.059 0.102 0.000 0.899 8 L HN 0.417 8.604 8.230 -0.071 0.000 0.434 9 D N -1.798 118.569 120.400 -0.055 0.000 2.190 9 D HA -0.314 4.295 4.640 -0.051 0.000 0.200 9 D C 2.264 178.583 176.300 0.032 0.000 0.992 9 D CA 3.235 57.217 54.000 -0.029 0.000 0.854 9 D CB -0.435 40.334 40.800 -0.050 0.000 0.936 9 D HN -0.638 7.660 8.370 -0.074 0.028 0.462 10 Q N -1.736 118.013 119.800 -0.086 0.000 2.124 10 Q HA -0.244 4.089 4.340 -0.012 0.000 0.202 10 Q C 2.668 178.685 176.000 0.028 0.000 0.977 10 Q CA 2.187 57.936 55.803 -0.089 0.000 0.850 10 Q CB -0.375 28.221 28.738 -0.237 0.000 0.901 10 Q HN -0.004 8.022 8.270 -0.172 0.141 0.429 11 Y N -1.614 118.773 120.300 0.145 0.000 2.333 11 Y HA -0.271 4.382 4.550 0.171 0.000 0.290 11 Y C 2.042 178.099 175.900 0.262 0.000 1.144 11 Y CA 1.571 59.791 58.100 0.201 0.000 1.228 11 Y CB -1.170 37.425 38.460 0.226 0.000 0.985 11 Y HN -0.364 7.691 8.280 -0.203 0.103 0.542 12 Y N -0.437 119.990 120.300 0.211 0.000 2.207 12 Y HA -0.402 4.237 4.550 0.149 0.000 0.287 12 Y C 1.560 177.525 175.900 0.107 0.000 1.156 12 Y CA 2.845 61.028 58.100 0.139 0.000 1.182 12 Y CB -0.622 37.891 38.460 0.089 0.000 0.979 12 Y HN -0.628 7.751 8.280 0.417 0.152 0.521 13 E N -1.510 118.802 120.200 0.188 0.000 2.072 13 E HA -0.364 4.008 4.350 0.038 0.000 0.191 13 E C 2.452 179.093 176.600 0.070 0.000 0.985 13 E CA 3.295 59.746 56.400 0.086 0.000 0.801 13 E CB -0.339 29.410 29.700 0.082 0.000 0.750 13 E HN -0.592 7.895 8.360 0.233 0.013 0.452 14 I N -0.172 120.487 120.570 0.148 0.000 2.252 14 I HA -0.460 3.776 4.170 0.109 0.000 0.245 14 I C 2.147 178.357 176.117 0.154 0.000 1.102 14 I CA 3.660 65.062 61.300 0.170 0.000 1.385 14 I CB -0.167 37.993 38.000 0.267 0.000 1.064 14 I HN -0.812 7.520 8.210 0.204 0.000 0.414 15 Q N -0.526 119.364 119.800 0.150 0.000 2.050 15 Q HA -0.269 4.271 4.340 -0.031 -0.218 0.202 15 Q C 2.810 178.750 176.000 -0.100 0.000 0.980 15 Q CA 2.852 58.653 55.803 -0.003 0.000 0.840 15 Q CB 0.084 28.800 28.738 -0.037 0.000 0.898 15 Q HN 0.049 8.447 8.270 0.214 0.000 0.424 16 C N -0.536 118.664 119.300 -0.167 0.000 2.425 16 C HA -0.474 3.828 4.460 -0.264 0.000 0.277 16 C C 1.162 176.059 174.990 -0.155 0.000 1.280 16 C CA 4.570 63.457 59.018 -0.219 0.000 1.744 16 C CB 0.087 27.675 27.740 -0.252 0.000 1.989 16 C HN 0.162 8.297 8.230 -0.158 0.000 0.491 17 N N -0.956 117.690 118.700 -0.090 0.000 2.205 17 N HA -0.316 4.370 4.740 -0.088 0.000 0.186 17 N C 2.197 177.655 175.510 -0.087 0.000 1.015 17 N CA 3.259 56.264 53.050 -0.074 0.000 0.862 17 N CB -0.287 38.181 38.487 -0.030 0.000 0.986 17 N HN -0.243 8.091 8.380 -0.058 0.011 0.429 18 E N -0.076 120.082 120.200 -0.070 0.000 2.106 18 E HA -0.263 4.222 4.350 -0.036 -0.156 0.192 18 E C 2.271 178.790 176.600 -0.134 0.000 0.984 18 E CA 3.094 59.463 56.400 -0.051 0.000 0.806 18 E CB -0.132 29.575 29.700 0.011 0.000 0.750 18 E HN -0.708 7.496 8.360 -0.053 0.124 0.458 19 L N -1.672 119.374 121.223 -0.295 0.000 1.994 19 L HA -0.350 3.402 4.340 -0.980 0.000 0.208 19 L C 2.248 178.915 176.870 -0.338 0.000 1.071 19 L CA 3.392 57.898 54.840 -0.556 0.000 0.745 19 L CB -0.419 41.312 42.059 -0.548 0.000 0.892 19 L HN -0.770 7.222 8.230 -0.243 0.092 0.431 20 E N -1.244 118.808 120.200 -0.245 0.000 2.150 20 E HA -0.353 3.861 4.350 -0.227 0.000 0.193 20 E C 2.441 178.948 176.600 -0.156 0.000 0.985 20 E CA 2.843 59.125 56.400 -0.197 0.000 0.814 20 E CB -0.701 28.903 29.700 -0.160 0.000 0.752 20 E HN -0.367 7.856 8.360 -0.228 0.000 0.466 21 A N -0.094 122.643 122.820 -0.139 0.000 1.873 21 A HA -0.196 4.036 4.320 -0.146 0.000 0.215 21 A C 2.304 179.810 177.584 -0.130 0.000 1.186 21 A CA 2.764 54.719 52.037 -0.137 0.000 0.616 21 A CB -0.410 18.512 19.000 -0.129 0.000 0.823 21 A HN -0.030 7.947 8.150 -0.140 0.089 0.442 22 I N -1.641 118.901 120.570 -0.047 0.000 2.500 22 I HA -0.330 3.859 4.170 0.032 0.000 0.252 22 I C 1.643 177.818 176.117 0.096 0.000 1.142 22 I CA 0.708 62.061 61.300 0.088 0.000 1.451 22 I CB -0.642 37.557 38.000 0.332 0.000 1.093 22 I HN 0.137 8.207 8.210 -0.054 0.107 0.430 23 R N 0.216 120.719 120.500 0.005 0.000 2.117 23 R HA -0.431 3.944 4.340 0.059 0.000 0.243 23 R C 2.300 178.571 176.300 -0.049 0.000 1.143 23 R CA 4.104 60.170 56.100 -0.058 0.000 0.968 23 R CB -0.470 29.667 30.300 -0.271 0.000 0.863 23 R HN 0.198 8.319 8.270 -0.073 0.105 0.444 24 S N -2.014 113.635 115.700 -0.084 0.000 2.402 24 S HA -0.199 4.224 4.470 -0.077 0.000 0.229 24 S C 2.080 176.630 174.600 -0.082 0.000 1.021 24 S CA 3.134 61.282 58.200 -0.088 0.000 0.974 24 S CB -0.279 62.854 63.200 -0.112 0.000 0.800 24 S HN -0.622 7.609 8.310 -0.102 0.018 0.484 25 I N 0.183 120.680 120.570 -0.122 0.000 2.277 25 I HA -0.317 3.757 4.170 -0.159 0.000 0.243 25 I C 0.398 176.379 176.117 -0.226 0.000 1.094 25 I CA 2.607 63.770 61.300 -0.228 0.000 1.393 25 I CB 0.899 38.687 38.000 -0.354 0.000 1.078 25 I HN -0.570 7.432 8.210 -0.111 0.141 0.417 26 Y N -4.096 116.306 120.300 0.170 0.000 2.764 26 Y HA 0.120 4.766 4.550 0.159 0.000 0.350 26 Y C -0.924 175.076 175.900 0.167 0.000 0.982 26 Y CA -2.320 55.894 58.100 0.190 0.000 1.431 26 Y CB -2.004 36.617 38.460 0.269 0.000 1.326 26 Y HN -0.193 8.120 8.280 0.056 0.000 0.550 27 M N -1.998 117.708 119.600 0.177 0.000 2.116 27 M HA -0.379 4.224 4.480 0.019 -0.111 0.255 27 M C 1.071 177.451 176.300 0.134 0.000 1.075 27 M CA 3.582 58.934 55.300 0.087 0.000 1.087 27 M CB -0.183 32.436 32.600 0.033 0.000 1.340 27 M HN -0.287 8.000 8.290 0.115 0.071 0.402 28 D N -5.023 115.484 120.400 0.178 0.000 2.422 28 D HA 0.072 4.802 4.640 0.149 0.000 0.218 28 D C -0.522 175.903 176.300 0.208 0.000 1.047 28 D CA 0.925 55.025 54.000 0.166 0.000 0.885 28 D CB 0.884 41.755 40.800 0.117 0.000 1.035 28 D HN 0.174 8.644 8.370 0.191 0.014 0.502 29 D N -0.962 119.598 120.400 0.267 0.000 2.413 29 D HA 0.065 4.772 4.640 0.111 0.000 0.237 29 D C -1.436 174.995 176.300 0.218 0.000 1.171 29 D CA 0.954 55.070 54.000 0.192 0.000 0.839 29 D CB -0.222 40.682 40.800 0.173 0.000 0.950 29 D HN 0.043 8.523 8.370 0.321 0.082 0.499 30 F N 0.602 120.636 119.950 0.139 0.000 2.492 30 F HA 0.268 4.909 4.527 0.190 0.000 0.327 30 F C -1.951 173.911 175.800 0.104 0.000 1.079 30 F CA -1.548 56.552 58.000 0.166 0.000 0.967 30 F CB 3.320 42.442 39.000 0.203 0.000 1.169 30 F HN -0.919 7.495 8.300 0.406 0.129 0.472 31 T N 6.538 120.543 114.554 -0.914 0.000 2.824 31 T HA 0.234 4.418 4.350 -0.276 0.000 0.282 31 T C -2.045 172.075 174.700 -0.966 0.000 0.993 31 T CA -0.684 61.024 62.100 -0.653 0.000 0.967 31 T CB 2.798 71.452 68.868 -0.357 0.000 0.960 31 T HN 0.406 8.009 8.240 -1.062 0.000 0.441 32 D N 6.231 126.446 120.400 -0.309 0.000 2.359 32 D HA 0.178 4.794 4.640 -0.040 0.000 0.230 32 D C -0.523 175.742 176.300 -0.058 0.000 1.118 32 D CA -0.033 53.953 54.000 -0.024 0.000 0.844 32 D CB 0.479 41.434 40.800 0.258 0.000 1.059 32 D HN 0.313 8.624 8.370 -0.098 0.000 0.493 33 L N 0.445 121.629 121.223 -0.065 0.000 2.840 33 L HA 0.436 4.724 4.340 -0.086 0.000 0.249 33 L C 0.068 176.924 176.870 -0.023 0.000 1.119 33 L CA -0.292 54.494 54.840 -0.090 0.000 0.930 33 L CB 1.234 43.161 42.059 -0.221 0.000 1.295 33 L HN 0.175 8.387 8.230 -0.029 0.000 0.534 34 T N 2.373 116.953 114.554 0.043 0.000 2.785 34 T HA -0.180 4.215 4.350 0.075 0.000 0.341 34 T C 0.928 175.654 174.700 0.042 0.000 1.093 34 T CA 1.799 63.939 62.100 0.067 0.000 1.103 34 T CB 0.377 69.304 68.868 0.098 0.000 1.011 34 T HN -0.375 7.909 8.240 0.073 0.000 0.549 35 K N 3.672 124.102 120.400 0.050 0.000 3.233 35 K HA -0.090 4.248 4.320 0.032 0.000 0.283 35 K C -0.438 176.186 176.600 0.040 0.000 1.209 35 K CA 1.106 57.419 56.287 0.043 0.000 1.197 35 K CB -2.281 30.251 32.500 0.053 0.000 1.431 35 K HN 0.609 8.899 8.250 0.066 0.000 0.326 36 R N -2.512 118.001 120.500 0.022 0.000 2.194 36 R HA 0.095 4.434 4.340 -0.002 0.000 0.194 36 R C 0.071 176.364 176.300 -0.012 0.000 0.985 36 R CA 0.341 56.435 56.100 -0.009 0.000 1.104 36 R CB 1.743 32.014 30.300 -0.047 0.000 1.092 36 R HN 0.027 8.202 8.270 0.024 0.110 0.555 37 K N 0.442 120.842 120.400 0.001 0.000 2.547 37 K HA -0.253 4.065 4.320 -0.003 0.000 0.275 37 K C 0.456 177.064 176.600 0.014 0.000 1.001 37 K CA 1.416 57.705 56.287 0.004 0.000 1.111 37 K CB -0.083 32.422 32.500 0.009 0.000 0.832 37 K HN -0.534 7.721 8.250 0.009 0.000 0.485 38 S N 1.737 117.446 115.700 0.016 0.000 4.112 38 S HA -0.413 4.078 4.470 0.035 0.000 0.265 38 S C 0.016 174.653 174.600 0.062 0.000 1.845 38 S CA 1.803 60.024 58.200 0.035 0.000 4.199 38 S CB -0.710 62.511 63.200 0.035 0.000 0.291 38 S HN 0.447 8.761 8.310 0.007 0.000 0.455 39 S N 1.215 116.959 115.700 0.072 0.000 2.641 39 S HA -0.076 4.481 4.470 0.145 0.000 0.251 39 S C -1.042 173.656 174.600 0.162 0.000 1.332 39 S CA 0.500 58.775 58.200 0.124 0.000 0.968 39 S CB 0.606 63.871 63.200 0.109 0.000 0.987 39 S HN -0.003 8.309 8.310 0.055 0.032 0.587 40 W N 0.705 122.019 121.300 0.024 0.000 2.630 40 W HA -0.006 4.669 4.660 0.025 0.000 0.275 40 W C -1.684 174.855 176.519 0.034 0.000 1.192 40 W CA 1.205 58.566 57.345 0.026 0.000 1.410 40 W CB 1.468 30.941 29.460 0.022 0.000 1.075 40 W HN 0.079 8.457 8.180 0.330 0.000 0.581 41 D N -4.887 115.675 120.400 0.270 0.000 2.687 41 D HA 0.180 4.883 4.640 0.105 0.000 0.213 41 D C -1.332 175.057 176.300 0.148 0.000 1.218 41 D CA 0.069 54.174 54.000 0.176 0.000 0.768 41 D CB 1.923 42.859 40.800 0.226 0.000 1.855 41 D HN -0.606 7.941 8.370 0.296 0.000 0.508 42 K N 2.398 122.862 120.400 0.106 0.000 2.830 42 K HA 0.258 4.629 4.320 0.085 0.000 0.250 42 K C -0.455 176.190 176.600 0.074 0.000 1.395 42 K CA 0.107 56.444 56.287 0.084 0.000 0.886 42 K CB 1.704 34.245 32.500 0.069 0.000 1.889 42 K HN 0.084 8.391 8.250 0.096 0.000 0.368 43 Q N -0.163 119.678 119.800 0.068 0.000 2.490 43 Q HA 0.448 4.827 4.340 0.064 0.000 0.397 43 Q C -2.371 173.678 176.000 0.083 0.000 0.937 43 Q CA -2.571 53.272 55.803 0.066 0.000 1.108 43 Q CB 0.401 29.171 28.738 0.052 0.000 1.336 43 Q HN 0.174 8.483 8.270 0.065 0.000 0.410 44 P HA 0.046 4.530 4.420 0.108 0.000 0.271 44 P C -1.565 175.836 177.300 0.169 0.000 1.216 44 P CA -0.059 63.117 63.100 0.127 0.000 0.776 44 P CB 0.761 32.541 31.700 0.134 0.000 0.881 45 Q N 2.454 122.356 119.800 0.169 0.000 2.149 45 Q HA -0.009 4.480 4.340 0.248 0.000 0.221 45 Q C 0.173 176.291 176.000 0.198 0.000 0.807 45 Q CA -0.234 55.689 55.803 0.199 0.000 1.000 45 Q CB 0.979 29.804 28.738 0.145 0.000 1.157 45 Q HN 0.290 8.648 8.270 0.147 0.000 0.487 46 I N -5.431 115.233 120.570 0.157 0.000 4.068 46 I HA -0.346 3.841 4.170 0.028 0.000 0.123 46 I C -1.203 175.049 176.117 0.224 0.000 0.404 46 I CA 1.401 62.753 61.300 0.086 0.000 1.250 46 I CB -0.091 37.891 38.000 -0.031 0.000 1.109 46 I HN -0.075 8.174 8.210 0.158 0.056 0.187 47 I N -2.860 117.858 120.570 0.245 0.000 3.055 47 I HA -0.280 4.095 4.170 0.342 0.000 0.308 47 I C -1.307 175.106 176.117 0.494 0.000 1.224 47 I CA 0.433 61.935 61.300 0.336 0.000 1.443 47 I CB -0.482 37.672 38.000 0.257 0.000 1.318 47 I HN -0.718 7.473 8.210 0.186 0.130 0.577 48 F N 0.847 120.934 119.950 0.229 0.000 2.693 48 F HA 0.459 4.990 4.527 0.007 0.000 0.309 48 F C -2.764 173.108 175.800 0.121 0.000 1.129 48 F CA -2.234 55.837 58.000 0.118 0.000 0.948 48 F CB 2.016 41.108 39.000 0.155 0.000 1.315 48 F HN -0.313 8.129 8.300 0.237 0.000 0.447 49 E N -2.021 118.062 120.200 -0.196 0.000 2.212 49 E HA 0.447 4.611 4.350 -0.497 -0.112 0.270 49 E C -1.566 174.837 176.600 -0.328 0.000 0.956 49 E CA -1.595 54.581 56.400 -0.373 0.000 0.825 49 E CB 3.474 32.940 29.700 -0.390 0.000 1.167 49 E HN -0.231 8.006 8.360 -0.204 0.000 0.400 50 I N 1.052 121.428 120.570 -0.324 0.000 2.582 50 I HA 0.311 4.407 4.170 -0.123 0.000 0.292 50 I C -1.198 174.784 176.117 -0.225 0.000 1.066 50 I CA -2.423 58.781 61.300 -0.161 0.000 1.053 50 I CB 3.506 41.556 38.000 0.084 0.000 1.241 50 I HN 0.447 8.358 8.210 -0.498 0.000 0.421 51 T N 8.203 122.628 114.554 -0.215 0.000 2.761 51 T HA 0.064 4.323 4.350 -0.152 0.000 0.296 51 T C -0.768 173.799 174.700 -0.221 0.000 0.934 51 T CA 0.976 62.969 62.100 -0.178 0.000 1.091 51 T CB 0.340 69.142 68.868 -0.111 0.000 0.896 51 T HN -0.041 8.086 8.240 -0.187 0.000 0.515 52 L N 5.461 126.601 121.223 -0.139 0.000 2.333 52 L HA 0.553 4.811 4.340 -0.137 0.000 0.263 52 L C -1.777 175.070 176.870 -0.038 0.000 1.014 52 L CA -1.203 53.579 54.840 -0.097 0.000 0.820 52 L CB 4.028 46.060 42.059 -0.045 0.000 1.352 52 L HN 0.539 8.706 8.230 -0.105 0.000 0.421 53 R N -3.376 117.118 120.500 -0.011 0.000 2.829 53 R HA 0.584 5.117 4.340 -0.006 -0.197 0.283 53 R C -1.220 175.091 176.300 0.018 0.000 1.013 53 R CA -1.370 54.730 56.100 -0.000 0.000 0.848 53 R CB 1.617 31.915 30.300 -0.003 0.000 1.291 53 R HN 0.053 8.322 8.270 -0.000 0.000 0.496 54 S N -0.809 114.901 115.700 0.018 0.000 2.680 54 S HA -0.121 4.370 4.470 0.035 0.000 0.249 54 S C 1.219 175.840 174.600 0.035 0.000 1.358 54 S CA 0.195 58.413 58.200 0.030 0.000 0.963 54 S CB 0.486 63.704 63.200 0.030 0.000 0.984 54 S HN -0.187 8.128 8.310 0.009 0.000 0.584 55 V N -7.009 112.927 119.914 0.037 0.000 2.992 55 V HA 0.039 4.186 4.120 0.045 0.000 0.250 55 V C -0.046 176.067 176.094 0.032 0.000 1.090 55 V CA 0.452 62.775 62.300 0.038 0.000 1.101 55 V CB 0.644 32.489 31.823 0.037 0.000 0.743 55 V HN 0.257 8.469 8.190 0.037 0.000 0.468 56 D N -2.033 118.384 120.400 0.028 0.000 2.723 56 D HA 0.249 4.903 4.640 0.023 0.000 0.247 56 D C -0.435 175.877 176.300 0.020 0.000 1.134 56 D CA -1.261 52.753 54.000 0.023 0.000 1.099 56 D CB 3.066 43.879 40.800 0.021 0.000 1.287 56 D HN -0.558 7.829 8.370 0.029 0.000 0.634 57 K N -3.249 117.162 120.400 0.017 0.000 2.412 57 K HA 0.146 4.517 4.320 0.014 -0.042 0.202 57 K C -1.232 175.376 176.600 0.013 0.000 1.102 57 K CA -0.234 56.061 56.287 0.014 0.000 1.027 57 K CB 1.285 33.792 32.500 0.012 0.000 0.931 57 K HN 0.081 8.341 8.250 0.016 0.000 0.557 58 E N -0.378 119.831 120.200 0.014 0.000 2.256 58 E HA 0.235 4.650 4.350 0.012 -0.058 0.267 58 E C -1.944 174.666 176.600 0.016 0.000 0.892 58 E CA -2.611 53.797 56.400 0.013 0.000 0.775 58 E CB 1.169 30.875 29.700 0.010 0.000 1.207 58 E HN -0.958 7.561 8.360 0.015 -0.150 0.420 59 P HA -0.053 4.373 4.420 0.010 0.000 0.234 59 P C -1.609 175.700 177.300 0.015 0.000 1.167 59 P CA 1.273 64.381 63.100 0.014 0.000 0.763 59 P CB 0.508 32.216 31.700 0.014 0.000 0.835 60 V N -8.992 110.933 119.914 0.018 0.000 3.181 60 V HA 0.343 4.476 4.120 0.010 -0.007 0.307 60 V C -1.652 174.450 176.094 0.014 0.000 1.310 60 V CA -2.797 59.512 62.300 0.015 0.000 1.067 60 V CB 3.273 35.106 31.823 0.017 0.000 1.081 60 V HN -0.882 7.249 8.190 0.022 0.073 0.453 61 E N -1.037 119.167 120.200 0.007 0.000 2.447 61 E HA 0.075 4.614 4.350 0.011 -0.182 0.204 61 E C -0.066 176.535 176.600 0.001 0.000 0.977 61 E CA -0.318 56.086 56.400 0.006 0.000 0.950 61 E CB 1.229 30.930 29.700 0.003 0.000 0.975 61 E HN 0.090 8.452 8.360 0.003 0.000 0.496 62 S N -1.311 114.384 115.700 -0.007 0.000 3.254 62 S HA -0.338 4.108 4.470 -0.039 0.000 0.327 62 S C -1.737 172.847 174.600 -0.026 0.000 0.892 62 S CA -0.131 58.053 58.200 -0.026 0.000 1.357 62 S CB -0.333 62.852 63.200 -0.025 0.000 1.022 62 S HN -0.002 8.305 8.310 -0.005 0.000 0.524 63 S N 1.928 117.612 115.700 -0.027 0.000 2.442 63 S HA 0.366 4.942 4.470 -0.020 -0.118 0.297 63 S C -0.966 173.618 174.600 -0.027 0.000 1.131 63 S CA -1.175 57.010 58.200 -0.024 0.000 1.092 63 S CB 1.362 64.550 63.200 -0.020 0.000 0.998 63 S HN -0.399 7.895 8.310 -0.028 0.000 0.478 64 I N 5.205 125.764 120.570 -0.018 0.000 2.722 64 I HA 0.477 4.804 4.170 0.006 -0.154 0.295 64 I C -1.104 175.014 176.117 0.001 0.000 1.161 64 I CA -1.368 59.938 61.300 0.009 0.000 1.032 64 I CB 4.979 43.003 38.000 0.040 0.000 1.244 64 I HN 0.662 8.749 8.210 -0.019 0.113 0.421 65 T N 7.337 121.886 114.554 -0.007 0.000 2.756 65 T HA 0.358 4.770 4.350 -0.114 -0.131 0.290 65 T C -1.191 173.429 174.700 -0.134 0.000 0.985 65 T CA 0.251 62.298 62.100 -0.089 0.000 0.955 65 T CB 1.034 69.832 68.868 -0.116 0.000 0.930 65 T HN 0.024 8.276 8.240 0.020 0.000 0.451 66 L N 7.913 128.988 121.223 -0.247 0.000 2.262 66 L HA 0.275 4.508 4.340 -0.401 -0.133 0.288 66 L C -1.714 174.574 176.870 -0.970 0.000 1.035 66 L CA -0.854 53.701 54.840 -0.476 0.000 0.820 66 L CB 1.004 42.878 42.059 -0.308 0.000 1.204 66 L HN 0.195 8.289 8.230 -0.227 0.000 0.424 67 H N 7.454 125.968 119.070 -0.927 0.000 2.581 67 H HA 0.420 4.286 4.556 -1.150 0.000 0.308 67 H C -1.568 173.235 175.328 -0.874 0.000 1.040 67 H CA -2.375 53.111 56.048 -0.935 0.000 1.231 67 H CB 1.275 30.738 29.762 -0.499 0.000 1.396 67 H HN -0.050 7.905 8.280 -0.543 0.000 0.467 68 F N 6.081 125.648 119.950 -0.639 0.000 2.421 68 F HA 0.751 5.136 4.527 -0.575 -0.204 0.337 68 F C -1.623 173.793 175.800 -0.639 0.000 1.105 68 F CA -2.939 54.682 58.000 -0.632 0.000 1.049 68 F CB 1.748 40.441 39.000 -0.511 0.000 1.139 68 F HN -0.451 6.934 8.300 -1.525 0.000 0.479 69 A N 1.854 124.483 122.820 -0.319 0.000 2.291 69 A HA 0.515 4.762 4.320 -0.121 0.000 0.311 69 A C -1.060 176.452 177.584 -0.121 0.000 1.224 69 A CA -1.570 50.349 52.037 -0.197 0.000 0.821 69 A CB 1.759 20.637 19.000 -0.203 0.000 1.172 69 A HN 0.068 8.056 8.150 -0.271 0.000 0.494 70 M N 5.881 125.416 119.600 -0.109 0.000 2.775 70 M HA 0.128 4.383 4.480 -0.376 0.000 0.313 70 M C -0.150 176.122 176.300 -0.046 0.000 1.429 70 M CA -1.107 54.054 55.300 -0.231 0.000 1.494 70 M CB -2.196 30.203 32.600 -0.335 0.000 1.274 70 M HN 0.415 8.685 8.290 -0.034 0.000 0.491 71 T N 2.824 117.389 114.554 0.019 0.000 2.854 71 T HA -0.093 4.298 4.350 0.068 0.000 0.336 71 T C 0.111 174.889 174.700 0.129 0.000 1.095 71 T CA -0.908 61.242 62.100 0.082 0.000 1.118 71 T CB -0.327 68.600 68.868 0.099 0.000 1.025 71 T HN -0.362 7.881 8.240 0.006 0.000 0.549 72 P HA -0.010 4.533 4.420 0.204 0.000 0.239 72 P C -1.502 175.912 177.300 0.190 0.000 1.184 72 P CA 1.482 64.681 63.100 0.165 0.000 0.760 72 P CB 0.191 31.963 31.700 0.119 0.000 0.884 73 M N -6.106 113.570 119.600 0.127 0.000 2.470 73 M HA 0.085 4.640 4.480 0.125 0.000 0.262 73 M C 0.028 176.173 176.300 -0.257 0.000 1.211 73 M CA 0.507 55.835 55.300 0.048 0.000 1.125 73 M CB 2.016 34.701 32.600 0.141 0.000 1.480 73 M HN -0.500 7.754 8.290 0.127 0.113 0.541 74 Y N 3.584 123.744 120.300 -0.235 0.000 2.890 74 Y HA -0.264 4.441 4.550 -0.174 -0.260 0.341 74 Y C -1.336 174.175 175.900 -0.648 0.000 1.269 74 Y CA 0.205 58.142 58.100 -0.273 0.000 1.517 74 Y CB -0.132 38.270 38.460 -0.097 0.000 1.314 74 Y HN -0.621 7.648 8.280 0.152 0.103 0.622 75 P HA -0.179 3.253 4.420 -1.647 0.000 0.230 75 P C -1.064 175.996 177.300 -0.400 0.000 1.158 75 P CA 0.766 63.142 63.100 -1.206 0.000 0.769 75 P CB 0.632 31.715 31.700 -1.029 0.000 0.807 76 Y N -1.184 118.819 120.300 -0.496 0.000 2.108 76 Y HA -0.464 4.005 4.550 -0.134 0.000 0.274 76 Y C -0.355 175.491 175.900 -0.091 0.000 1.229 76 Y CA 2.882 60.853 58.100 -0.216 0.000 1.129 76 Y CB -0.236 38.122 38.460 -0.171 0.000 0.946 76 Y HN -0.505 7.356 8.280 -0.598 0.060 0.509 77 T N -7.404 107.189 114.554 0.065 0.000 2.919 77 T HA 0.070 4.417 4.350 -0.005 0.000 0.282 77 T C -1.651 173.133 174.700 0.141 0.000 1.020 77 T CA -2.712 59.431 62.100 0.071 0.000 0.994 77 T CB 2.905 71.841 68.868 0.113 0.000 1.180 77 T HN -0.878 7.382 8.240 0.061 0.016 0.566 78 A N -0.080 122.789 122.820 0.082 0.000 2.301 78 A HA 0.527 5.074 4.320 0.378 0.000 0.312 78 A C -1.322 176.331 177.584 0.114 0.000 1.182 78 A CA -2.974 49.130 52.037 0.111 0.000 0.826 78 A CB -0.209 18.697 19.000 -0.157 0.000 1.134 78 A HN 0.252 8.414 8.150 0.019 0.000 0.501 79 P HA 0.137 4.643 4.420 0.031 -0.067 0.296 79 P C -1.733 175.562 177.300 -0.008 0.000 1.295 79 P CA -0.697 62.431 63.100 0.047 0.000 0.754 79 P CB 1.480 33.186 31.700 0.010 0.000 1.311 80 E N -0.869 119.282 120.200 -0.081 0.000 2.246 80 E HA 0.251 4.563 4.350 -0.064 0.000 0.266 80 E C -1.467 175.004 176.600 -0.215 0.000 0.880 80 E CA -0.771 55.560 56.400 -0.115 0.000 0.762 80 E CB 2.118 31.749 29.700 -0.115 0.000 1.180 80 E HN -0.141 8.149 8.360 -0.117 0.000 0.416 81 I N 5.223 125.688 120.570 -0.175 0.000 2.530 81 I HA 0.815 5.022 4.170 -0.407 -0.281 0.297 81 I C -1.288 174.618 176.117 -0.351 0.000 1.011 81 I CA -2.814 58.315 61.300 -0.285 0.000 1.107 81 I CB 2.084 39.977 38.000 -0.179 0.000 1.285 81 I HN 0.346 8.502 8.210 -0.090 0.000 0.436 82 E N 3.591 123.505 120.200 -0.477 0.000 2.321 82 E HA 0.313 4.376 4.350 -0.479 0.000 0.278 82 E C -2.202 174.104 176.600 -0.490 0.000 0.902 82 E CA -1.308 54.831 56.400 -0.435 0.000 0.758 82 E CB 3.832 33.428 29.700 -0.173 0.000 1.213 82 E HN -0.242 7.817 8.360 -0.501 0.000 0.426 83 F N 1.973 121.904 119.950 -0.032 0.000 2.385 83 F HA 0.729 5.433 4.527 -0.066 -0.217 0.336 83 F C 0.380 176.144 175.800 -0.060 0.000 1.100 83 F CA -1.252 56.717 58.000 -0.051 0.000 1.116 83 F CB 1.270 40.243 39.000 -0.045 0.000 1.166 83 F HN 0.252 8.446 8.300 -0.177 0.000 0.511 84 K N 1.421 121.875 120.400 0.090 0.000 2.346 84 K HA 0.320 4.656 4.320 0.027 0.000 0.238 84 K C -0.424 176.184 176.600 0.013 0.000 1.039 84 K CA -2.148 54.151 56.287 0.021 0.000 0.861 84 K CB 2.381 34.858 32.500 -0.038 0.000 1.278 84 K HN -0.075 8.228 8.250 0.088 0.000 0.460 85 N N -3.289 115.406 118.700 -0.009 0.000 3.644 85 N HA -0.524 4.204 4.740 -0.020 0.000 0.220 85 N C -0.668 174.832 175.510 -0.016 0.000 0.167 85 N CA 2.425 55.465 53.050 -0.017 0.000 3.334 85 N CB -0.595 37.878 38.487 -0.023 0.000 1.186 85 N HN 0.314 8.685 8.380 -0.015 0.000 0.301 86 V N -3.280 116.623 119.914 -0.017 0.000 5.195 86 V HA -0.409 3.678 4.120 -0.055 0.000 0.361 86 V C -0.599 175.469 176.094 -0.043 0.000 0.690 86 V CA 1.415 63.690 62.300 -0.041 0.000 1.388 86 V CB -2.673 29.122 31.823 -0.047 0.000 1.652 86 V HN 0.346 8.495 8.190 -0.009 0.036 0.461 87 Q N 5.468 125.242 119.800 -0.042 0.000 2.141 87 Q HA -0.041 4.281 4.340 -0.030 0.000 0.207 87 Q C 0.544 176.521 176.000 -0.038 0.000 0.996 87 Q CA 0.317 56.100 55.803 -0.034 0.000 0.850 87 Q CB 0.320 29.043 28.738 -0.025 0.000 0.952 87 Q HN -0.152 8.091 8.270 -0.044 0.000 0.512 88 N N 0.632 119.311 118.700 -0.036 0.000 2.061 88 N HA -0.217 4.511 4.740 -0.020 0.000 0.193 88 N C 0.125 175.604 175.510 -0.051 0.000 1.030 88 N CA 1.867 54.899 53.050 -0.031 0.000 0.856 88 N CB 0.202 38.678 38.487 -0.018 0.000 1.023 88 N HN -0.084 8.277 8.380 -0.032 0.000 0.424 89 V N -0.844 119.015 119.914 -0.092 0.000 2.763 89 V HA -0.198 3.976 4.120 -0.159 -0.149 0.306 89 V C -0.077 175.947 176.094 -0.116 0.000 1.059 89 V CA 1.402 63.613 62.300 -0.148 0.000 1.138 89 V CB 0.923 32.610 31.823 -0.226 0.000 0.940 89 V HN -0.382 7.753 8.190 -0.091 0.000 0.489 90 M N 6.727 126.259 119.600 -0.114 0.000 2.556 90 M HA 0.036 4.477 4.480 -0.066 0.000 0.259 90 M C -0.228 176.011 176.300 -0.103 0.000 1.175 90 M CA 2.002 57.253 55.300 -0.082 0.000 1.202 90 M CB 0.814 33.383 32.600 -0.051 0.000 1.298 90 M HN 0.552 8.763 8.290 -0.132 0.000 0.492 91 D N -7.662 112.656 120.400 -0.137 0.000 1.490 91 D HA -0.069 4.460 4.640 -0.186 0.000 0.826 91 D C 1.019 177.214 176.300 -0.174 0.000 0.451 91 D CA 0.679 54.589 54.000 -0.151 0.000 1.354 91 D CB -1.251 39.495 40.800 -0.091 0.000 1.048 91 D HN -0.390 7.892 8.370 -0.146 0.000 0.389 92 S N 1.699 117.320 115.700 -0.131 0.000 2.374 92 S HA -0.264 4.154 4.470 -0.086 0.000 0.227 92 S C 1.803 176.294 174.600 -0.181 0.000 1.037 92 S CA 3.007 61.144 58.200 -0.104 0.000 1.024 92 S CB -0.334 62.853 63.200 -0.023 0.000 0.861 92 S HN 0.096 8.345 8.310 -0.102 0.000 0.456 93 Q N -0.294 119.315 119.800 -0.318 0.000 2.123 93 Q HA -0.191 3.890 4.340 -0.430 0.000 0.199 93 Q C 2.455 178.161 176.000 -0.488 0.000 0.966 93 Q CA 3.701 59.205 55.803 -0.498 0.000 0.845 93 Q CB -0.354 27.896 28.738 -0.813 0.000 0.907 93 Q HN 0.247 8.324 8.270 -0.306 0.010 0.439 94 L N -1.634 119.258 121.223 -0.550 0.000 2.027 94 L HA -0.390 3.151 4.340 -1.332 0.000 0.206 94 L C 2.270 178.780 176.870 -0.600 0.000 1.074 94 L CA 2.878 57.182 54.840 -0.893 0.000 0.745 94 L CB -0.669 40.914 42.059 -0.793 0.000 0.898 94 L HN -0.267 7.603 8.230 -0.450 0.090 0.433 95 Q N -2.697 116.913 119.800 -0.316 0.000 2.167 95 Q HA -0.368 3.896 4.340 -0.126 0.000 0.202 95 Q C 2.606 178.496 176.000 -0.183 0.000 0.970 95 Q CA 2.721 58.417 55.803 -0.178 0.000 0.855 95 Q CB -0.102 28.570 28.738 -0.110 0.000 0.911 95 Q HN 0.193 8.291 8.270 -0.287 0.000 0.438 96 M N 0.913 120.399 119.600 -0.189 0.000 2.117 96 M HA -0.403 4.029 4.480 -0.080 0.000 0.262 96 M C 1.573 177.778 176.300 -0.159 0.000 1.065 96 M CA 3.582 58.807 55.300 -0.125 0.000 1.114 96 M CB -0.129 32.426 32.600 -0.075 0.000 1.361 96 M HN -0.507 7.557 8.290 -0.217 0.096 0.408 97 L N -1.397 119.666 121.223 -0.267 0.000 2.093 97 L HA -0.443 3.830 4.340 -0.111 0.000 0.208 97 L C 2.145 178.456 176.870 -0.931 0.000 1.085 97 L CA 2.717 57.338 54.840 -0.365 0.000 0.755 97 L CB -0.665 41.247 42.059 -0.245 0.000 0.904 97 L HN -0.501 7.538 8.230 -0.319 0.000 0.435 98 K N -1.738 118.206 120.400 -0.761 0.000 2.103 98 K HA -0.403 3.197 4.320 -1.200 0.000 0.207 98 K C 2.808 179.230 176.600 -0.295 0.000 1.048 98 K CA 2.618 58.514 56.287 -0.653 0.000 0.930 98 K CB -0.956 31.427 32.500 -0.195 0.000 0.716 98 K HN -0.634 7.262 8.250 -0.456 0.081 0.444 99 S N -1.738 113.855 115.700 -0.179 0.000 2.383 99 S HA -0.255 4.197 4.470 -0.030 0.000 0.227 99 S C 1.803 176.409 174.600 0.009 0.000 1.026 99 S CA 2.890 61.059 58.200 -0.053 0.000 0.981 99 S CB -0.233 62.948 63.200 -0.032 0.000 0.818 99 S HN -0.585 7.593 8.310 -0.201 0.011 0.472 100 E N 0.957 121.169 120.200 0.021 0.000 2.274 100 E HA -0.203 4.216 4.350 0.114 0.000 0.194 100 E C 2.252 178.977 176.600 0.208 0.000 0.996 100 E CA 2.467 58.948 56.400 0.135 0.000 0.840 100 E CB -0.355 29.504 29.700 0.264 0.000 0.772 100 E HN -0.791 7.436 8.360 -0.064 0.094 0.491 101 F N -1.783 118.174 119.950 0.011 0.000 2.250 101 F HA -0.290 4.211 4.527 -0.044 0.000 0.301 101 F C 2.002 177.798 175.800 -0.007 0.000 1.077 101 F CA 0.970 58.967 58.000 -0.004 0.000 1.348 101 F CB -1.339 37.684 39.000 0.038 0.000 1.040 101 F HN 0.127 8.365 8.300 0.135 0.144 0.509 102 K N -0.908 119.598 120.400 0.178 0.000 2.062 102 K HA -0.359 4.002 4.320 0.067 0.000 0.205 102 K C 2.021 178.657 176.600 0.060 0.000 1.051 102 K CA 4.104 60.441 56.287 0.083 0.000 0.941 102 K CB -0.208 32.317 32.500 0.040 0.000 0.719 102 K HN -0.642 7.672 8.250 0.163 0.034 0.440 103 K N -0.435 119.988 120.400 0.039 0.000 2.057 103 K HA -0.247 4.085 4.320 0.020 0.000 0.206 103 K C 2.612 179.185 176.600 -0.044 0.000 1.050 103 K CA 2.953 59.243 56.287 0.006 0.000 0.935 103 K CB -0.444 32.064 32.500 0.013 0.000 0.715 103 K HN -0.716 7.485 8.250 0.052 0.081 0.439 104 I N -0.042 120.453 120.570 -0.124 0.000 2.179 104 I HA -0.561 3.450 4.170 -0.266 0.000 0.242 104 I C 1.243 177.316 176.117 -0.073 0.000 1.088 104 I CA 4.870 66.043 61.300 -0.212 0.000 1.357 104 I CB 0.049 37.836 38.000 -0.357 0.000 1.051 104 I HN -0.065 8.083 8.210 -0.103 0.000 0.409 105 H N 0.042 119.058 119.070 -0.091 0.000 2.353 105 H HA -0.333 4.183 4.556 -0.067 0.000 0.300 105 H C 1.665 176.959 175.328 -0.056 0.000 1.090 105 H CA 3.554 59.565 56.048 -0.062 0.000 1.327 105 H CB 0.108 29.849 29.762 -0.035 0.000 1.383 105 H HN -0.396 7.950 8.280 0.109 0.000 0.508 106 N N -2.430 116.376 118.700 0.178 0.000 2.104 106 N HA -0.225 4.607 4.740 0.154 0.000 0.190 106 N C 1.979 177.510 175.510 0.035 0.000 1.024 106 N CA 2.866 55.979 53.050 0.105 0.000 0.853 106 N CB 0.364 38.880 38.487 0.049 0.000 1.008 106 N HN -0.359 8.106 8.380 0.141 0.000 0.424 107 T N -1.092 113.463 114.554 0.002 0.000 2.978 107 T HA -0.051 4.296 4.350 -0.006 0.000 0.262 107 T C 1.258 175.931 174.700 -0.044 0.000 1.063 107 T CA 2.617 64.707 62.100 -0.017 0.000 1.140 107 T CB 0.156 69.016 68.868 -0.014 0.000 0.886 107 T HN -0.577 7.654 8.240 -0.001 0.009 0.470 108 S N 1.276 116.924 115.700 -0.085 0.000 2.583 108 S HA 0.203 4.619 4.470 -0.091 0.000 0.239 108 S C -1.915 172.545 174.600 -0.233 0.000 0.966 108 S CA -0.906 57.215 58.200 -0.132 0.000 0.973 108 S CB 0.422 63.541 63.200 -0.136 0.000 0.794 108 S HN -0.343 7.825 8.310 -0.083 0.093 0.463 109 R N 2.072 122.459 120.500 -0.188 0.000 2.808 109 R HA -0.310 3.740 4.340 -0.465 0.010 0.248 109 R C 0.060 176.241 176.300 -0.198 0.000 1.539 109 R CA 1.481 57.453 56.100 -0.213 0.000 1.071 109 R CB -1.837 28.457 30.300 -0.010 0.000 1.172 109 R HN -0.783 7.341 8.270 -0.096 0.089 0.579 110 G N 4.853 113.475 108.800 -0.296 0.000 2.624 110 G HA2 -0.263 3.498 3.960 -0.331 0.000 0.190 110 G HA3 -0.263 3.602 3.960 -0.158 0.000 0.190 110 G C -1.295 173.477 174.900 -0.214 0.000 1.008 110 G CA -0.286 44.662 45.100 -0.253 0.000 0.731 110 G HN 0.250 8.283 8.290 -0.405 0.014 0.478 111 Q N -0.089 119.615 119.800 -0.161 0.000 2.527 111 Q HA 0.195 4.507 4.340 -0.046 0.000 0.220 111 Q C -1.268 174.722 176.000 -0.017 0.000 1.014 111 Q CA -1.658 54.103 55.803 -0.070 0.000 0.978 111 Q CB 1.832 30.541 28.738 -0.048 0.000 1.245 111 Q HN -0.218 7.824 8.270 -0.181 0.120 0.513 112 E N -0.622 119.593 120.200 0.024 0.000 2.376 112 E HA -0.153 4.500 4.350 0.113 -0.235 0.266 112 E C -0.065 176.536 176.600 0.001 0.000 1.009 112 E CA 0.804 57.233 56.400 0.048 0.000 0.902 112 E CB 0.179 29.897 29.700 0.030 0.000 0.972 112 E HN -0.063 8.304 8.360 0.011 0.000 0.439 113 I N -2.792 117.758 120.570 -0.035 0.000 4.327 113 I HA 0.366 4.482 4.170 -0.091 0.000 0.331 113 I C 0.518 176.509 176.117 -0.211 0.000 1.348 113 I CA -0.252 60.979 61.300 -0.114 0.000 1.152 113 I CB 1.743 39.657 38.000 -0.144 0.000 1.151 113 I HN -0.036 8.408 8.210 -0.016 -0.243 0.410 114 I N 2.316 122.721 120.570 -0.276 0.000 2.226 114 I HA -0.394 3.120 4.170 -1.095 0.000 0.245 114 I C 1.562 177.534 176.117 -0.241 0.000 1.100 114 I CA 3.274 64.211 61.300 -0.605 0.000 1.374 114 I CB -1.444 36.224 38.000 -0.553 0.000 1.057 114 I HN -0.744 7.362 8.210 -0.172 0.000 0.413 115 F N -1.099 118.763 119.950 -0.147 0.000 2.206 115 F HA -0.283 4.270 4.527 0.044 0.000 0.298 115 F C 1.700 177.514 175.800 0.024 0.000 1.090 115 F CA 3.359 61.347 58.000 -0.019 0.000 1.323 115 F CB -0.032 38.958 39.000 -0.016 0.000 1.028 115 F HN 0.161 8.541 8.300 0.134 0.000 0.492 116 E N -0.173 120.050 120.200 0.038 0.000 2.047 116 E HA -0.413 3.971 4.350 0.057 0.000 0.191 116 E C 2.216 178.804 176.600 -0.019 0.000 0.987 116 E CA 3.260 59.661 56.400 0.003 0.000 0.799 116 E CB -0.770 28.907 29.700 -0.040 0.000 0.752 116 E HN -0.348 8.057 8.360 0.075 0.000 0.449 117 I N -0.690 119.810 120.570 -0.118 0.000 2.226 117 I HA -0.419 3.679 4.170 -0.120 0.000 0.245 117 I C 1.276 177.437 176.117 0.073 0.000 1.100 117 I CA 4.105 65.324 61.300 -0.135 0.000 1.374 117 I CB 0.148 37.916 38.000 -0.385 0.000 1.057 117 I HN 0.298 8.408 8.210 -0.166 0.000 0.413 118 T N -0.470 114.121 114.554 0.061 0.000 2.777 118 T HA -0.269 4.205 4.350 0.206 0.000 0.266 118 T C 2.269 177.014 174.700 0.075 0.000 1.040 118 T CA 3.820 66.005 62.100 0.141 0.000 1.141 118 T CB -0.050 68.958 68.868 0.234 0.000 0.868 118 T HN -0.231 7.995 8.240 -0.024 0.000 0.444 119 S N 3.611 119.264 115.700 -0.079 0.000 2.368 119 S HA -0.137 4.257 4.470 -0.128 0.000 0.224 119 S C 1.867 176.509 174.600 0.069 0.000 1.029 119 S CA 3.614 61.745 58.200 -0.114 0.000 0.988 119 S CB -0.401 62.612 63.200 -0.312 0.000 0.838 119 S HN 0.005 8.104 8.310 -0.172 0.108 0.462 120 F N 1.703 121.649 119.950 -0.007 0.000 2.102 120 F HA -0.195 4.362 4.527 0.049 0.000 0.298 120 F C 1.553 177.418 175.800 0.108 0.000 1.105 120 F CA 4.240 62.281 58.000 0.068 0.000 1.239 120 F CB -0.074 38.999 39.000 0.122 0.000 0.991 120 F HN 0.262 8.777 8.300 0.359 0.000 0.474 121 T N -1.609 113.146 114.554 0.334 0.000 2.777 121 T HA -0.485 4.013 4.350 0.246 0.000 0.266 121 T C 1.900 176.679 174.700 0.132 0.000 1.040 121 T CA 4.446 66.699 62.100 0.254 0.000 1.141 121 T CB -0.198 68.867 68.868 0.328 0.000 0.868 121 T HN -0.029 8.430 8.240 0.365 0.000 0.444 122 Q N 2.568 122.435 119.800 0.111 0.000 2.050 122 Q HA -0.441 3.939 4.340 0.068 0.000 0.202 122 Q C 2.091 178.117 176.000 0.043 0.000 0.980 122 Q CA 3.626 59.472 55.803 0.072 0.000 0.840 122 Q CB 0.103 28.888 28.738 0.079 0.000 0.898 122 Q HN 0.152 8.395 8.270 0.131 0.106 0.424 123 E N -0.370 119.837 120.200 0.012 0.000 2.031 123 E HA -0.365 3.980 4.350 -0.009 0.000 0.193 123 E C 2.400 178.997 176.600 -0.005 0.000 0.994 123 E CA 3.099 59.484 56.400 -0.025 0.000 0.800 123 E CB -0.415 29.222 29.700 -0.104 0.000 0.752 123 E HN 0.228 8.484 8.360 0.011 0.110 0.447 124 K N -0.908 119.494 120.400 0.002 0.000 2.097 124 K HA -0.229 4.119 4.320 0.048 0.000 0.205 124 K C 2.566 179.244 176.600 0.129 0.000 1.050 124 K CA 2.503 58.826 56.287 0.060 0.000 0.938 124 K CB -0.289 32.256 32.500 0.074 0.000 0.718 124 K HN -0.319 7.926 8.250 -0.009 0.000 0.442 125 L N -0.339 120.927 121.223 0.072 0.000 1.994 125 L HA -0.377 3.961 4.340 -0.004 0.000 0.208 125 L C 0.743 177.675 176.870 0.103 0.000 1.071 125 L CA 3.649 58.517 54.840 0.047 0.000 0.745 125 L CB -0.158 41.904 42.059 0.004 0.000 0.892 125 L HN 0.136 8.277 8.230 0.058 0.124 0.431 126 D N -2.009 118.435 120.400 0.074 0.000 2.104 126 D HA -0.436 4.242 4.640 0.063 0.000 0.194 126 D C 2.131 178.477 176.300 0.077 0.000 0.994 126 D CA 3.854 57.893 54.000 0.065 0.000 0.830 126 D CB 0.152 40.978 40.800 0.043 0.000 0.959 126 D HN 0.085 8.489 8.370 0.057 0.000 0.452 127 E N -1.350 118.895 120.200 0.075 0.000 2.204 127 E HA -0.311 4.051 4.350 0.020 0.000 0.195 127 E C 1.957 178.591 176.600 0.058 0.000 0.990 127 E CA 2.283 58.711 56.400 0.047 0.000 0.821 127 E CB -0.845 28.869 29.700 0.023 0.000 0.750 127 E HN -0.364 8.038 8.360 0.070 0.000 0.477 128 F N 1.598 121.533 119.950 -0.024 0.000 2.014 128 F HA -0.355 4.156 4.527 -0.027 0.000 0.295 128 F C 2.346 178.133 175.800 -0.022 0.000 1.145 128 F CA 3.644 61.629 58.000 -0.026 0.000 1.178 128 F CB 0.044 39.026 39.000 -0.031 0.000 0.972 128 F HN -0.897 7.436 8.300 0.292 0.142 0.476 129 Q N -2.207 117.727 119.800 0.223 0.000 2.250 129 Q HA -0.504 3.916 4.340 0.134 0.000 0.215 129 Q C 2.518 178.543 176.000 0.042 0.000 1.002 129 Q CA 2.996 58.868 55.803 0.115 0.000 0.910 129 Q CB -0.383 28.403 28.738 0.079 0.000 0.939 129 Q HN -0.435 7.993 8.270 0.263 0.000 0.416 130 N N -2.511 116.200 118.700 0.018 0.000 2.106 130 N HA -0.136 4.600 4.740 -0.007 0.000 0.188 130 N C 0.824 176.302 175.510 -0.054 0.000 1.029 130 N CA 2.160 55.200 53.050 -0.015 0.000 0.848 130 N CB 0.854 39.331 38.487 -0.017 0.000 1.007 130 N HN -0.623 7.754 8.380 0.038 0.026 0.423 131 V N -5.371 114.477 119.914 -0.111 0.000 2.315 131 V HA 0.178 4.225 4.120 -0.122 0.000 0.265 131 V C -1.667 174.239 176.094 -0.315 0.000 1.019 131 V CA -1.300 60.896 62.300 -0.173 0.000 0.824 131 V CB 0.530 32.248 31.823 -0.175 0.000 1.072 131 V HN -0.302 7.737 8.190 -0.116 0.081 0.448 132 V N 4.124 123.913 119.914 -0.209 0.000 2.628 132 V HA 0.238 4.046 4.120 -0.521 0.000 0.306 132 V C -1.148 174.884 176.094 -0.103 0.000 1.045 132 V CA -1.887 60.285 62.300 -0.214 0.000 0.905 132 V CB 2.959 34.812 31.823 0.051 0.000 0.997 132 V HN -0.303 7.819 8.190 -0.114 0.000 0.436 133 N N 7.714 126.364 118.700 -0.082 0.000 2.543 133 N HA -0.091 4.617 4.740 -0.053 0.000 0.289 133 N C 0.119 175.630 175.510 0.001 0.000 1.223 133 N CA 0.064 53.093 53.050 -0.036 0.000 1.080 133 N CB -1.317 37.157 38.487 -0.021 0.000 1.450 133 N HN 0.317 8.632 8.380 -0.108 0.000 0.501 134 T N 2.906 117.457 114.554 -0.005 0.000 2.903 134 T HA -0.035 4.325 4.350 0.017 0.000 0.314 134 T C -0.205 174.496 174.700 0.002 0.000 1.078 134 T CA 0.866 62.968 62.100 0.005 0.000 1.114 134 T CB 1.362 70.230 68.868 -0.001 0.000 0.987 134 T HN -0.296 7.908 8.240 -0.020 0.024 0.548 135 Q N 4.609 124.411 119.800 0.005 0.000 2.288 135 Q HA -0.000 4.339 4.340 -0.001 0.000 0.213 135 Q C -1.001 174.999 176.000 0.001 0.000 0.724 135 Q CA 0.101 55.905 55.803 0.002 0.000 0.902 135 Q CB 0.692 29.432 28.738 0.003 0.000 1.286 135 Q HN 0.285 8.560 8.270 0.008 0.000 0.458 136 S N 0.267 115.969 115.700 0.003 0.000 3.400 136 S HA -0.321 4.151 4.470 0.002 0.000 0.854 136 S C -0.981 173.619 174.600 -0.001 0.000 1.167 136 S CA 0.392 58.593 58.200 0.001 0.000 0.985 136 S CB 0.441 63.641 63.200 0.000 0.000 0.666 136 S HN -0.075 8.239 8.310 0.005 0.000 0.276 137 L N 0.656 121.879 121.223 -0.001 0.000 3.509 137 L HA -0.253 4.085 4.340 -0.003 0.000 0.608 137 L C 0.198 177.066 176.870 -0.003 0.000 1.032 137 L CA 0.733 55.572 54.840 -0.002 0.000 1.125 137 L CB 0.019 42.077 42.059 -0.003 0.000 1.218 137 L HN -0.013 8.216 8.230 -0.001 0.000 0.727 138 E N 0.000 120.198 120.200 -0.003 0.000 2.725 138 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 138 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 138 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 138 E HN 0.000 8.358 8.360 -0.004 0.000 0.440